Geometry & MOs

Info

ID:	287409
PubChem CID:	104240943
Reduced:	BrOCl2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	348.03347
ΔH_f, kcal/mol:	5.23
Dipole, Da:	8.24
IP(EA), eV:	-9.41(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=O)N=C(N2)C3=C(C=C(C=N3)Cl)Cl)Br

DOS

IR

Vibrations